Skip to content

Instantly share code, notes, and snippets.

View badarsh2's full-sized avatar

B Adarsh badarsh2

29 followers · 3 following
View GitHub Profile
@badarsh2
badarsh2 / Avogadro2_MD_GSOC_summary.md
Created August 13, 2018 17:03
Summary of my work at OpenChemistry as part of Google Summer of Code 2018

Sample Screenshot

As part of Google Summer of Code 2018, I contributed to Avogadro 2 towards providing support for analysing Molecular Dynamics (MD) trajectories and generating inputs for a few MD codes. I dealt with adding new trajectory readers, MD input readers and writers, MD input generation tools, and revamping some of the visualization tools.

Work Accomplished

I made the following pull requests towards adding MD trajectory readers:

  • LAMMPS dump reader: ASCII full-precision trajectory dump reader. This patch contains the code additions for LAMMPS dump reader, and this patch contains the corresponding IO tests.
  • trr reader - The GROMACS trr trajectory format stores trajectory informati
@badarsh2
badarsh2 / GSoC_summary.md
Last active August 13, 2018 16:47
Summary of my work at OpenChemistry as part of Google Summer of Code 2018

Sample Screenshot

As part of Google Summer of Code 2018, I contributed to Avogadro 2 towards providing support for analysing Molecular Dynamics (MD) trajectories and generating inputs for a few MD codes. I dealt with adding new trajectory readers, MD input readers and writers, MD input generation tools, and revamping some of the visualization tools.

Work Accomplished

I made the following pull requests towards adding MD trajectory readers:

  • LAMMPS dump reader: ASCII full-precision trajectory dump reader. This patch contains the code additions for LAMMPS dump reader, and this patch contains the corresponding IO tests.
  • trr reader - The GROMACS trr trajectory format stores trajectory informati